N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-cyclopropyl-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H26ClFN2O2 MolecularWeight: 440.937543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H26ClFN2O2/c26-22-7-4-8-23(27)21(22)17-29(20-10-11-20)25(31)19-13-15-28(16-14-19)24(30)12-9-18-5-2-1-3-6-18/h1-9,12,19-20H,10-11,13-17H2/b12-9+